1-ethylnaphthalene-2-carboxylic acid

C13H12O2 — CID 22762218

IUPAC1-ethylnaphthalene-2-carboxylic acid
SMILESCCc1c(C(=O)O)ccc2ccccc12
InChIInChI=1S/C13H12O2/c1-2-10-11-6-4-3-5-9(11)7-8-12(10)13(14)15/h3-8H,2H2,1H3,(H,14,15)
InChIKeyPKGNQNKKEYSJLM-UHFFFAOYSA-N
MW200.24 g/mol
LogP3.10
Rot. Bonds2

About 1-ethylnaphthalene-2-carboxylic acid

1-ethylnaphthalene-2-carboxylic acid (PubChem CID 22762218) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-ethylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-ethylnaphthalene-2-carboxylic acid
PubChem CID22762218
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name1-ethylnaphthalene-2-carboxylic acid
SMILESCCc1c(C(=O)O)ccc2ccccc12
InChIInChI=1S/C13H12O2/c1-2-10-11-6-4-3-5-9(11)7-8-12(10)13(14)15/h3-8H,2H2,1H3,(H,14,15)
InChIKeyPKGNQNKKEYSJLM-UHFFFAOYSA-N
XLogP3.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-3-hydroxynaphthalene-2-carboxylic acid
CID 141486602
iron;1-octylnaphthalene-2-carboxylic acid
CID 159193184
7-bromo-1-ethylnaphthalene-2-carboxylic acid
CID 115057709
1-(3-phenylprop-2-enyl)naphthalene-2-carboxylic acid
CID 162681591
naphthalene-1,2-dicarboxylic acid;hydrate
CID 67377556
1-sulfanylnaphthalene-2-carboxylic acid
CID 22336604
naphthalene-1,2-dicarboxylic acid;hydrochloride
CID 67387751
2-(2-acetylnaphthalen-1-yl)acetic acid
CID 69135276
1,4-diethylnaphthalene-2,3-dicarboxylic acid
CID 19961477
naphthalene-1,2-dicarboxylic acid;naphthalene-1,4-dicarboxylic acid
CID 158292853
hydrazine;naphthalene-1,2-dicarboxylic acid
CID 19968700
naphthalene-1-carboxylic acid;propanoic acid
CID 161134976

Frequently Asked Questions

What is the IUPAC name of 1-ethylnaphthalene-2-carboxylic acid?
The IUPAC name of 1-ethylnaphthalene-2-carboxylic acid (CID 22762218) is 1-ethylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 1-ethylnaphthalene-2-carboxylic acid?
The canonical SMILES for 1-ethylnaphthalene-2-carboxylic acid is CCc1c(C(=O)O)ccc2ccccc12.
What is the InChIKey of 1-ethylnaphthalene-2-carboxylic acid?
The InChIKey is PKGNQNKKEYSJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-2-10-11-6-4-3-5-9(11)7-8-12(10)13(14)15/h3-8H,2H2,1H3,(H,14,15).
What are the key properties of 1-ethylnaphthalene-2-carboxylic acid?
1-ethylnaphthalene-2-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 22762218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).